ChemicalBook--->CAS DataBase List--->32863-32-4

32863-32-4

32863-32-4 Structure

32863-32-4 Structure
IdentificationBack Directory
[Name]

4-Benzofurazancarboxaldehyde
[CAS]

32863-32-4
[Synonyms]

4-Formylbenzofurazan
benzofurazan-4-carbaldehyde
4-BENZOFURAZANCARBOXALDEHYDE
4-FORMYL-2,1,3-BENZOXADIAZOLE
Benzofurazon-4-Carboxaldehyde
4-Benzofurazone Carboxaldehyde
2,1,3-Benzoxadiazole-4-aldehyde
4-Benzofurazancarboxaldehyde ,97%
4-FORMYL-BENZO[C][1,2,5]OXADIAZOLE
2,1,3-Benzoxadiazole-4-carbaldehyde
2,1,3-benzoxadiazole-7-carbaldehyde
2,1,3-benzoxadiazole-7-carboxaldehyde
2,1,3-BENZOXADIAZOLE-4-CARBOXALDEHYDE
BENZO[C][1,2,5]OXADIAZOLE-4-CARBALDEHYDE
2,1,3-Benzoxadiazole-4-carboxaldehyde (9CI)
4-Benzofurazancarboxaldehyde ISO 9001:2015 REACH
2,1,3-benzoxadiazole-4-carbaldehyde(SALTDATA: FREE)
[EINECS(EC#)]

682-565-9
[Molecular Formula]

C7H4N2O2
[MDL Number]

MFCD07772900
[MOL File]

32863-32-4.mol
[Molecular Weight]

148.12
Chemical PropertiesBack Directory
[Melting point ]

100-102°C
[Boiling point ]

277 °C
[density ]

1.417
[Fp ]

121 °C
[storage temp. ]

Refrigerator
[solubility ]

Dichloromethane (Slightly), Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-1.86±0.45(Predicted)
[color ]

Light Brown
[InChI]

InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
[InChIKey]

YBBRQAXNTWMMFZ-UHFFFAOYSA-N
[SMILES]

N1=C2C=CC=C(C=O)C2=NO1
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Toluene-->Potassium carbonate-->Carbon tetrachloride-->Dimethyl sulfoxide-->N-Bromosuccinimide-->Sodium azide-->AIBN-->Triethyl phosphite-->2-CHLORO-3-NITROTOLUENE
Hazard InformationBack Directory
[Chemical Properties]

Light Brown Solid
[Uses]

A synthetic intermediate for the production of Isradipine.
[Synthesis]

4-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE

32863-30-2

4-Benzofurazancarboxaldehyde

32863-32-4

General procedure for the synthesis of benzodiazole-4-carbaldehyde from 4-(bromomethyl)benzo[c][1,2,5]oxadiazole: 4-(bromomethyl)benzo[c][1,2,5]oxadiazole (19.7 g, 0.1 mol), dimethylsulfoxide (DMSO, 15 mL), and sodium bicarbonate (10 g, 0.12 mol) were added to the reaction flask sequentially. The reaction mixture was heated to 100-150 °C under nitrogen protection. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently extracted with deionized water and ethyl acetate. The organic layers were combined and washed with saturated sodium chloride solution. The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent to give 10.6 g of a light yellow solid product in 71.6% yield with a melting point of 108-109 °C.

[References]

[1] Patent: CN102285978, 2016, B. Location in patent: Paragraph 0031
[2] European Journal of Medicinal Chemistry, 1996, vol. 31, # 1, p. 3 - 10
Spectrum DetailBack Directory
[Spectrum Detail]

4-Benzofurazancarboxaldehyde(32863-32-4)1HNMR
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